2984-4758 Screening compound: 2-ethoxyethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4758 Screening compound: 2-ethoxyethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4758 Screening compound: 2-ethoxyethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4758
2-ethoxyethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2984-4758

Molecular Formula

C29H33NO6 (C29 H33 NO6)

Compound Name

2-ethoxyethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 4-(34-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c(cc2)cc(OC)c2OC)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C29H33NO6/c1-5-35-13-14-36-29(32)26-18(2)30-22-15-21(19-9-7-6-8-10-19)16-23(31)28(22)27(26)20-11-12-24(33-3)25(17-20)34-4/h6-12,17,21,27,30H,5,13-16H2,1-4H3

InChI Key

KGOVVIADVLDHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

-0.065

Water Solubility, LogSw

-4.39

Polar Surface Area

67.936

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with 2984-4758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4758?
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What is the minimum amount of 2984-4758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4758
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2984-4758 available by request